N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide

C13H10ClFN2O2S — CID 6897306

IUPACN-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C13H10ClFN2O2S/c14-12-7-4-8-13(15)11(12)9-16-17-20(18,19)10-5-2-1-3-6-10/h1-9,17H/b16-9+
InChIKeyUDOCLNVLVFZZBK-CXUHLZMHSA-N
MW312.75 g/mol
LogP2.79
Rot. Bonds4

About N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide

N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide (PubChem CID 6897306) has the molecular formula C13H10ClFN2O2S and a molecular weight of 312.75 g/mol. Its IUPAC name is N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide
PubChem CID6897306
Molecular FormulaC13H10ClFN2O2S
Molecular Weight312.75 g/mol
Exact Mass312.01
IUPAC NameN-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C13H10ClFN2O2S/c14-12-7-4-8-13(15)11(12)9-16-17-20(18,19)10-5-2-1-3-6-10/h1-9,17H/b16-9+
InChIKeyUDOCLNVLVFZZBK-CXUHLZMHSA-N
XLogP2.79
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methylideneamino]benzenesulfonamide
CID 1474680
N-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide
CID 6894293
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzenesulfonamide
CID 5387404
N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 4166236
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide
CID 5431725
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2,2-diphenylacetamide
CID 4980565
1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3524205
4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide
CID 874024
1-(2-chloro-6-fluorophenyl)-N-methylmethanimine
CID 18736702
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]acridin-9-amine
CID 44715022
N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1001980
N-(2-methylpropylideneamino)benzenesulfonamide
CID 4149632

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide (CID 6897306) is N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide is O=S(=O)(N/N=C/c1c(F)cccc1Cl)c1ccccc1.
What is the InChIKey of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide?
The InChIKey is UDOCLNVLVFZZBK-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H10ClFN2O2S/c14-12-7-4-8-13(15)11(12)9-16-17-20(18,19)10-5-2-1-3-6-10/h1-9,17H/b16-9+.
What are the key properties of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide?
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide has a molecular weight of 312.75 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 6897306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).